UCSF

ZINC34667749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 9.81 -19.09 1 7 0 75 450.926 5
Lo Low (pH 4.5-6) 3.32 10.16 -49.47 2 7 1 76 451.934 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )